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Atractylenolide III

PropertiesImage
MNX_IDMNXM102902 Image of MNXM102902
referencechebi:69958
formulaC15H20O3
global charge0
mol weight248.322
InChIKeyFBMORZZOJSDNRQ-GLQYFDAESA-N
InChIInChI=1S/C15H20O3/c1-9-5-4-6-14(3)8-15(17)12(7-11(9)14)10(2)13(16)18-15/h11,17H,1,4-8H2,2-3H3/t11-,14+,15-/m0/s1
SMILESC=C1CCC[C@]2(C)C[C@]3(O)OC(=O)C(C)=C3C[C@@H]12
MNX internals
InChI (mnx)InChI=1/C15H20O3/c1-9-5-4-6-14(3)8-15(17)12(7-11(9)14)10(2)13(16)18-15/h11,17H,1,4-8H2,2-3H3/t11-,14+,15-/m0/s1 Image of MNXM102902
SMILES (mnx)[CH2:1]=[C:9]1[CH2:5][CH2:4][CH2:6][C@:14]2([CH3:3])[CH2:8][C@@:15]3([OH:17])[C:12](=[C:10]([CH3:2])[C:13](=[O:16])[O:18]3)[CH2:7][C@@H:11]12
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:69958
chebi:69958
FBMORZZOJSDNRQ-GLQYFDAESA-N 		Atractylenolide III
(4aS,8aR,9aS)-9a-hydroxy-3,8a-dimethyl-5-methylidene-4,4a,6,7,8,9-hexahydrobenzo[f][1]benzofuran-2-one

seed.compound:cpd19338
seedM:cpd19338
kegg.compound:C17887
keggC:C17887
FBMORZZOJSDNRQ-GLQYFDAESA-N 		Atractylenolide III
hmdb:HMDB0248708
FBMORZZOJSDNRQ-UHFFFAOYSA-N 		Atractylenolide III
8-Hydroxyasterolide
9a-hydroxy-3,8a-dimethyl-5-methylidene-2H,4H,4aH,5H,6H,7H,8H,8aH,9H,9aH-naphtho[2,3-b]furan-2-one
9a-hydroxy-3,8a-dimethyl-5-methylidene-4H,4aH,6H,7H,8H,9H-naphtho[2,3-b]furan-2-one

CHEBI:181894
chebi:181894
FBMORZZOJSDNRQ-UHFFFAOYSA-N 		Lassiosiphol
9a-hydroxy-3,8a-dimethyl-5-methylidene-4,4a,6,7,8,9-hexahydrobenzo[][1]benzouran-2-one

keggC:M_C17887
seedM:M_cpd19338 		secondary/obsolete/fantasy identifier